SEQ2FUN

BioLiP

PDB CCD ID: Z6I
Number of entries in BioLiP: 1
Chemical formula: C9 H15 N3
InChI: InChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)
InChIKey: RUDBDQGQYSXYGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]ncc1C2CCNCC2
OpenEye OEToolkits 2.0.7Cc1c(cn[nH]1)C2CCNCC2
ACDLabs 12.01Cc1[NH]ncc1C1CCNCC1
Name:4-(5-methyl-1H-pyrazol-4-yl)piperidine
ZINC: ZINC000082403329
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).